#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uey n SER 2 N 0.00 -1.93 -4.90 1.61 2.88 -1.26 -5.14 113.62 104.87 1uey n SER 2 Ca 0.00 0.57 -0.28 0.00 -1.33 0.00 0.00 58.87 57.84 1uey n SER 2 Cb 0.00 2.01 0.03 0.00 -0.75 0.00 0.00 64.21 65.50 1uey n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uey s SER 3 N -2.00 5.69 0.00 -3.46 1.04 -1.26 -4.99 113.70 108.72 1uey s SER 3 Ca 0.00 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1uey s SER 3 Cb 0.00 -1.88 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1uey s SER 3 CO 0.00 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1uey n GLY 4 N -2.65 2.86 3.21 7.32 0.00 -1.26 -5.14 105.19 109.52 1uey n GLY 4 Ca 0.05 -1.24 0.04 0.00 0.00 0.00 0.00 46.02 44.87 1uey n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uey s SER 5 N 0.00 -0.77 -0.29 1.61 0.15 -1.26 -5.16 113.70 107.98 1uey s SER 5 Ca 0.00 0.59 -0.24 0.00 0.70 0.00 0.00 55.95 57.00 1uey s SER 5 Cb 0.00 1.69 0.15 0.00 -1.71 0.00 0.00 66.02 66.15 1uey s SER 5 CO 0.00 -0.14 1.19 -0.55 1.20 0.00 0.00 173.24 174.94 1uey s SER 6 N 2.83 -0.29 0.00 5.45 0.15 -1.26 -5.07 113.70 115.51 1uey s SER 6 Ca 0.05 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1uey s SER 6 Cb -0.11 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1uey s SER 6 CO -0.15 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1uey n GLY 7 N 2.06 -0.92 3.57 9.45 0.00 -1.26 -5.09 105.19 113.01 1uey n GLY 7 Ca -0.12 0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1uey n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uey s PRO 8 N 0.00 3.19 0.04 1.61 0.04 -1.26 -4.88 135.00 133.73 1uey s PRO 8 Ca 0.00 0.49 -0.27 0.00 0.04 0.00 0.00 61.00 61.26 1uey s PRO 8 Cb 0.00 -4.17 -0.17 0.00 0.04 0.00 0.00 34.50 30.19 1uey s PRO 8 CO 0.00 -2.07 1.42 1.15 0.04 0.00 0.00 177.00 177.54 1uey h THR 9 N 6.46 0.68 0.15 1.26 2.02 -1.98 -3.36 112.91 118.13 1uey h THR 9 Ca -0.27 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 1uey h THR 9 Cb 1.10 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1uey h THR 9 CO 1.18 0.07 -0.07 1.55 0.37 0.00 0.00 175.52 178.62 1uey h PRO 10 N -0.66 -0.20 -6.03 6.66 0.13 -2.08 -3.46 132.00 126.37 1uey h PRO 10 Ca -0.05 0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.42 1uey h PRO 10 Cb 0.47 0.04 0.10 0.00 0.13 0.00 0.00 31.00 31.74 1uey h PRO 10 CO 0.08 -0.13 -0.41 0.00 -0.23 0.00 0.00 178.00 177.30 1uey n ALA 11 N -2.45 -2.76 -1.00 -0.56 0.00 -1.26 -4.94 120.51 107.54 1uey n ALA 11 Ca -0.03 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1uey n ALA 11 Cb 0.08 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1uey n ALA 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1uey n PRO 12 N 1.05 -0.17 -3.72 0.00 -0.04 -1.26 -4.80 135.00 126.06 1uey n PRO 12 Ca 0.18 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.51 1uey n PRO 12 Cb 0.24 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.60 1uey n PRO 12 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uey s VAL 13 N -0.78 -0.01 0.15 0.52 1.01 -1.26 -4.99 120.40 115.04 1uey s VAL 13 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1uey s VAL 13 Cb 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1uey s VAL 13 CO 0.00 0.01 0.08 -1.22 0.00 0.00 0.00 175.10 173.97 1uey n TYR 14 N 3.21 -0.90 0.00 5.22 4.02 -1.26 -4.52 117.16 122.93 1uey n TYR 14 Ca -0.16 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 57.09 1uey n TYR 14 Cb 0.57 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 1uey n TYR 14 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1uey n ASP 15 N -1.76 0.00 -0.99 7.72 8.00 -1.26 -5.07 116.55 123.18 1uey n ASP 15 Ca -0.02 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.57 1uey n ASP 15 Cb 0.17 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.22 1uey n ASP 15 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1uey n VAL 16 N 0.00 -0.44 -2.42 2.53 0.24 -1.26 -4.61 118.33 112.37 1uey n VAL 16 Ca 0.00 0.47 -0.43 0.00 -2.04 0.00 0.00 64.34 62.34 1uey n VAL 16 Cb 0.00 -0.72 -0.02 0.00 -1.47 0.00 0.00 33.84 31.63 1uey n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1uey s PRO 17 N -4.49 4.28 1.01 7.34 0.04 -1.25 -4.57 135.00 137.35 1uey s PRO 17 Ca 0.00 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 1uey s PRO 17 Cb 0.00 -3.68 -0.06 0.00 0.04 0.00 0.00 34.50 30.80 1uey s PRO 17 CO 0.00 -0.60 -0.47 0.09 0.04 0.00 0.00 177.00 176.06 1uey n ASN 18 N 6.00 -3.66 -4.80 6.66 5.03 -0.51 -4.46 115.26 119.52 1uey n ASN 18 Ca 0.13 0.13 -0.34 0.00 0.87 0.00 0.00 54.58 55.37 1uey n ASN 18 Cb 0.45 -0.87 -0.03 0.00 -1.02 0.00 0.00 39.78 38.31 1uey n ASN 18 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1uey s PRO 19 N -2.73 3.75 0.88 3.52 0.04 -1.26 -4.43 135.00 134.78 1uey s PRO 19 Ca 0.47 1.33 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1uey s PRO 19 Cb -0.12 -2.09 0.12 0.00 0.04 0.00 0.00 34.50 32.45 1uey s PRO 19 CO 0.72 -0.47 1.13 -1.25 0.04 0.00 0.00 177.00 177.17 1uey s PRO 20 N -3.35 1.37 0.31 0.56 0.04 -1.26 -4.13 135.00 128.55 1uey s PRO 20 Ca 0.67 0.38 -0.03 0.00 0.04 0.00 0.00 61.00 62.06 1uey s PRO 20 Cb -0.16 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1uey s PRO 20 CO 0.22 -2.06 0.42 -0.59 0.04 0.00 0.00 177.00 175.03 1uey s PHE 21 N -3.25 1.05 -0.02 0.56 -0.12 -0.70 -4.42 117.98 111.08 1uey s PHE 21 Ca 0.63 -1.26 0.00 0.00 -0.05 0.00 0.00 56.93 56.25 1uey s PHE 21 Cb -0.15 -0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.08 1uey s PHE 21 CO 0.54 -1.04 0.00 -3.47 -0.05 0.00 0.00 175.22 171.20 1uey n ASP 22 N -1.17 -4.90 -4.42 1.98 -0.08 -1.26 -3.15 116.55 103.55 1uey n ASP 22 Ca 0.01 0.01 -0.57 0.00 -1.51 0.00 0.00 54.79 52.73 1uey n ASP 22 Cb 0.62 -2.42 -0.07 0.00 2.34 0.00 0.00 41.12 41.58 1uey n ASP 22 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1uey n LEU 23 N -0.03 -0.17 -3.54 -2.67 7.94 -1.26 -4.91 117.00 112.37 1uey n LEU 23 Ca -0.00 1.14 -0.13 0.00 -1.11 0.00 0.00 56.01 55.90 1uey n LEU 23 Cb 0.32 -0.91 -0.04 0.00 0.53 0.00 0.00 43.42 43.32 1uey n LEU 23 CO 0.00 -2.02 0.31 -1.61 -1.11 0.00 0.00 177.39 172.96 1uey s GLU 24 N -0.13 1.10 -0.31 1.96 2.02 -1.03 -4.75 118.70 117.56 1uey s GLU 24 Ca 0.86 -0.29 -0.05 0.00 0.02 0.00 0.00 54.97 55.51 1uey s GLU 24 Cb -1.21 0.50 0.03 0.00 0.10 0.00 0.00 34.13 33.56 1uey s GLU 24 CO 0.56 -0.42 0.06 -0.51 0.02 0.00 0.00 175.26 174.97 1uey s LEU 25 N -2.17 4.02 -0.17 1.80 1.43 -1.26 -2.13 118.68 120.19 1uey s LEU 25 Ca -0.03 -1.05 -0.03 0.00 -1.03 0.00 0.00 54.13 51.99 1uey s LEU 25 Cb -0.00 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.45 1uey s LEU 25 CO -0.04 -0.26 0.03 0.42 0.23 0.00 0.00 176.35 176.73 1uey s THR 26 N 1.38 0.44 0.00 5.49 -4.23 -1.18 -5.04 115.64 112.50 1uey s THR 26 Ca -0.01 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1uey s THR 26 Cb -0.19 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.76 1uey s THR 26 CO 0.01 -0.13 0.00 -0.90 -0.54 0.00 0.00 174.62 173.07 1uey n ASP 27 N 5.09 0.00 0.00 3.99 5.75 -1.26 -4.42 116.55 125.70 1uey n ASP 27 Ca -0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 1uey n ASP 27 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1uey n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uey n GLN 28 N 0.00 0.00 -1.17 0.11 6.02 -1.26 -4.98 117.38 116.10 1uey n GLN 28 Ca 0.00 -0.28 -0.06 0.00 -0.01 0.00 0.00 57.00 56.65 1uey n GLN 28 Cb 0.00 -0.34 -0.03 0.00 1.02 0.00 0.00 30.24 30.89 1uey n GLN 28 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1uey n LEU 29 N 0.00 -0.12 -0.59 1.08 -0.00 -1.25 -4.81 117.00 111.31 1uey n LEU 29 Ca 0.00 0.15 0.47 0.00 -0.00 0.00 0.00 56.01 56.62 1uey n LEU 29 Cb 0.45 -1.82 0.74 0.00 -0.00 0.00 0.00 43.42 42.80 1uey n LEU 29 CO 0.00 -0.63 1.34 -0.90 -0.00 0.00 0.00 177.39 177.19 1uey n ASP 30 N -0.35 0.10 -0.97 1.45 5.68 -1.26 -3.31 116.55 117.89 1uey n ASP 30 Ca -0.06 1.15 -0.01 0.00 -0.50 0.00 0.00 54.79 55.38 1uey n ASP 30 Cb 0.36 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1uey n ASP 30 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1uey n LYS 31 N -4.25 0.07 0.00 0.11 3.00 -1.26 -5.09 118.16 110.73 1uey n LYS 31 Ca 0.42 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1uey n LYS 31 Cb 1.78 0.34 0.00 0.00 0.00 0.00 0.00 35.03 37.15 1uey n LYS 31 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1uey n SER 32 N -0.08 0.00 -3.36 3.14 2.88 -1.21 -5.04 113.62 109.95 1uey n SER 32 Ca -0.03 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.46 1uey n SER 32 Cb 0.40 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.87 1uey n SER 32 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1uey s VAL 33 N 0.00 0.00 -0.06 2.46 0.11 -1.25 -3.93 120.40 117.74 1uey s VAL 33 Ca 0.00 -0.68 -0.04 0.00 -2.93 0.00 0.00 61.98 58.33 1uey s VAL 33 Cb 0.00 -2.71 0.03 0.00 -1.53 0.00 0.00 36.38 32.17 1uey s VAL 33 CO 0.00 0.00 0.14 -1.58 -3.33 0.00 0.00 175.10 170.33 1uey s GLN 34 N -2.42 0.12 -0.23 1.54 0.74 -1.26 -2.40 119.66 115.75 1uey s GLN 34 Ca 0.19 0.30 -0.08 0.00 0.05 0.00 0.00 55.36 55.82 1uey s GLN 34 Cb -0.03 -0.08 -0.04 0.00 1.10 0.00 0.00 33.01 33.97 1uey s GLN 34 CO 0.06 -0.11 0.08 -1.17 -0.55 0.00 0.00 175.29 173.60 1uey s LEU 35 N 0.75 3.63 -0.28 3.68 2.96 -0.20 -3.09 118.68 126.11 1uey s LEU 35 Ca -0.06 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.69 1uey s LEU 35 Cb -0.07 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.65 1uey s LEU 35 CO -0.04 0.03 0.08 -0.44 -1.32 0.00 0.00 176.35 174.66 1uey s SER 36 N 1.26 5.15 0.30 3.68 0.01 -0.91 -2.56 113.70 120.64 1uey s SER 36 Ca 0.05 -0.52 0.10 0.00 1.31 0.00 0.00 55.95 56.89 1uey s SER 36 Cb -0.15 -1.90 -0.06 0.00 0.21 0.00 0.00 66.02 64.12 1uey s SER 36 CO 0.04 -0.14 -0.12 -1.66 0.41 0.00 0.00 173.24 171.77 1uey s TRP 37 N 1.55 2.23 -0.19 2.43 -2.14 -0.79 -2.45 118.94 119.57 1uey s TRP 37 Ca 0.04 -0.49 -0.01 0.00 2.66 0.00 0.00 56.10 58.30 1uey s TRP 37 Cb -0.16 -1.17 0.05 0.00 -3.10 0.00 0.00 33.47 29.09 1uey s TRP 37 CO 0.03 0.55 -0.03 0.99 -2.66 0.00 0.00 176.95 175.82 1uey s THR 38 N -2.69 1.10 -0.26 0.66 2.01 -1.19 -4.79 115.64 110.48 1uey s THR 38 Ca 0.30 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 61.24 1uey s THR 38 Cb 0.00 -1.37 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 1uey s THR 38 CO 0.14 -0.00 1.33 -2.16 -0.69 0.00 0.00 174.62 173.24 1uey s PRO 39 N 1.62 3.97 0.00 4.92 0.04 -1.26 -1.72 135.00 142.57 1uey s PRO 39 Ca -0.01 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1uey s PRO 39 Cb -0.17 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1uey s PRO 39 CO -0.07 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.32 1uey n GLY 40 N 4.21 -0.79 3.70 0.56 0.00 -1.26 -4.94 105.19 106.67 1uey n GLY 40 Ca 0.15 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 1uey n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uey n ASP 41 N 0.00 1.79 -0.01 1.61 9.92 -1.26 -4.84 116.55 123.77 1uey n ASP 41 Ca 0.00 0.84 0.09 0.00 -0.53 0.00 0.00 54.79 55.19 1uey n ASP 41 Cb 0.00 -1.51 -0.13 0.00 -0.64 0.00 0.00 41.12 38.84 1uey n ASP 41 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1uey n ASP 42 N -1.45 0.78 -3.03 -2.24 8.00 -1.26 -1.42 116.55 115.92 1uey n ASP 42 Ca 0.15 -0.26 -0.01 0.00 0.71 0.00 0.00 54.79 55.37 1uey n ASP 42 Cb 0.47 1.61 0.01 0.00 -0.02 0.00 0.00 41.12 43.19 1uey n ASP 42 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1uey n ASN 43 N -1.94 -7.53 0.00 -2.24 5.03 -1.26 -3.28 115.26 104.04 1uey n ASN 43 Ca -0.01 -0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.31 1uey n ASN 43 Cb 0.43 -5.17 0.00 0.00 -1.02 0.00 0.00 39.78 34.01 1uey n ASN 43 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1uey n ASN 44 N -1.88 0.00 -4.64 6.41 3.02 -1.26 -4.28 115.26 112.63 1uey n ASN 44 Ca -0.01 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1uey n ASN 44 Cb 0.51 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 1uey n ASN 44 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1uey s SER 45 N 0.00 6.62 0.50 6.41 0.15 -1.21 -4.99 113.70 121.19 1uey s SER 45 Ca 0.00 1.64 -0.19 0.00 0.70 0.00 0.00 55.95 58.10 1uey s SER 45 Cb 0.00 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.70 1uey s SER 45 CO 0.00 -1.05 1.04 -2.16 1.20 0.00 0.00 173.24 172.27 1uey s PRO 46 N 4.19 3.74 0.43 5.44 0.04 -1.26 -4.55 135.00 143.02 1uey s PRO 46 Ca 0.64 1.33 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 1uey s PRO 46 Cb -0.24 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1uey s PRO 46 CO 0.24 -0.48 1.39 -1.50 0.04 0.00 0.00 177.00 176.69 1uey s ILE 47 N -2.07 2.27 0.00 0.56 -1.16 -1.26 -4.45 121.20 115.09 1uey s ILE 47 Ca 0.66 0.24 0.00 0.00 -0.51 0.00 0.00 60.65 61.05 1uey s ILE 47 Cb -0.16 -3.14 0.00 0.00 0.61 0.00 0.00 42.46 39.77 1uey s ILE 47 CO 0.23 0.04 0.00 0.35 -2.81 0.00 0.00 174.94 172.74 1uey n THR 48 N -0.01 0.00 -3.92 4.00 -2.24 -0.77 -4.60 114.28 106.73 1uey n THR 48 Ca 0.04 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.73 1uey n THR 48 Cb 0.42 -0.64 -0.09 0.00 -2.10 0.00 0.00 70.33 67.92 1uey n THR 48 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1uey s LYS 49 N -1.78 0.65 -0.26 -0.78 2.20 -0.42 0.22 119.74 119.56 1uey s LYS 49 Ca 0.00 -0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 54.76 1uey s LYS 49 Cb 0.00 0.25 0.09 0.00 -1.51 0.00 0.00 37.83 36.66 1uey s LYS 49 CO 0.00 -0.17 0.08 -0.06 -0.36 0.00 0.00 175.35 174.84 1uey s PHE 50 N -2.99 1.13 0.35 4.03 0.08 -0.44 -0.72 117.98 119.42 1uey s PHE 50 Ca -0.02 -1.21 -0.09 0.00 0.12 0.00 0.00 56.93 55.73 1uey s PHE 50 Cb 0.01 -1.27 -0.06 0.00 -0.57 0.00 0.00 43.02 41.13 1uey s PHE 50 CO -0.06 -0.77 0.68 0.42 -0.10 0.00 0.00 175.22 175.39 1uey s ILE 51 N 1.82 4.87 0.10 0.64 1.01 -0.40 -0.53 121.20 128.72 1uey s ILE 51 Ca 0.06 0.43 0.04 0.00 0.00 0.00 0.00 60.65 61.18 1uey s ILE 51 Cb -0.17 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1uey s ILE 51 CO -0.22 -0.40 -0.12 -0.63 0.00 0.00 0.00 174.94 173.57 1uey s ILE 52 N -2.21 1.08 0.25 2.92 1.09 0.32 0.21 121.20 124.85 1uey s ILE 52 Ca 0.49 -1.65 -0.09 0.00 -1.10 0.00 0.00 60.65 58.30 1uey s ILE 52 Cb -0.10 -1.40 -0.01 0.00 -1.06 0.00 0.00 42.46 39.89 1uey s ILE 52 CO 0.29 -0.49 0.39 -1.61 -0.10 0.00 0.00 174.94 173.42 1uey s GLU 53 N -2.69 1.51 0.13 2.79 2.02 0.10 -1.24 118.70 121.32 1uey s GLU 53 Ca 0.06 -1.40 -0.17 0.00 0.02 0.00 0.00 54.97 53.48 1uey s GLU 53 Cb -0.04 0.42 0.04 0.00 0.10 0.00 0.00 34.13 34.65 1uey s GLU 53 CO 0.01 -0.60 0.42 1.52 0.02 0.00 0.00 175.26 176.63 1uey s TYR 54 N -3.94 -0.22 -0.03 1.61 -0.85 -1.07 0.00 117.35 112.86 1uey s TYR 54 Ca 0.27 -0.09 0.04 0.00 -0.52 0.00 0.00 57.07 56.77 1uey s TYR 54 Cb 0.01 0.29 -0.00 0.00 0.38 0.00 0.00 41.96 42.63 1uey s TYR 54 CO 0.11 -0.72 -0.14 -1.83 -1.52 0.00 0.00 175.55 171.45 1uey s GLU 55 N -3.80 1.31 -0.78 -3.49 4.04 -1.24 -0.48 118.70 114.26 1uey s GLU 55 Ca 0.03 -0.49 -0.22 0.00 0.04 0.00 0.00 54.97 54.33 1uey s GLU 55 Cb 0.02 -1.21 0.08 0.00 0.02 0.00 0.00 34.13 33.04 1uey s GLU 55 CO -0.12 0.24 1.08 0.34 -1.84 0.00 0.00 175.26 174.96 1uey s ASP 56 N -0.08 6.34 0.34 0.83 -1.08 -1.23 -2.23 116.67 119.55 1uey s ASP 56 Ca 0.00 -1.32 0.26 0.00 -0.52 0.00 0.00 52.55 50.97 1uey s ASP 56 Cb -0.08 -2.43 0.76 0.00 -1.46 0.00 0.00 42.92 39.70 1uey s ASP 56 CO 0.01 -1.36 1.74 0.00 0.52 0.00 0.00 175.17 176.08 1uey h ALA 57 N 9.39 1.00 0.00 3.66 0.00 -1.47 0.50 119.26 132.35 1uey h ALA 57 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1uey h ALA 57 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1uey h ALA 57 CO 1.19 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 180.32 1uey n MET 58 N -2.64 0.23 0.00 0.00 0.00 -1.09 -4.24 117.12 109.38 1uey n MET 58 Ca 0.04 0.25 0.00 0.00 -0.00 0.00 0.00 57.70 57.99 1uey n MET 58 Cb 0.42 -1.80 0.00 0.00 0.00 0.00 0.00 33.22 31.84 1uey n MET 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1uey n HIS 59 N -2.20 0.00 -3.87 1.12 8.25 -1.07 -4.86 115.22 112.60 1uey n HIS 59 Ca 0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.21 1uey n HIS 59 Cb 0.38 0.24 -0.15 0.00 1.12 0.00 0.00 29.99 31.58 1uey n HIS 59 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1uey s LYS 60 N -0.95 1.25 0.16 -0.41 1.02 0.17 -5.09 119.74 115.89 1uey s LYS 60 Ca 0.00 -1.72 -0.30 0.00 0.02 0.00 0.00 55.97 53.97 1uey s LYS 60 Cb 0.00 -2.67 -0.07 0.00 -0.52 0.00 0.00 37.83 34.57 1uey s LYS 60 CO 0.00 -1.01 1.12 -1.25 -0.92 0.00 0.00 175.35 173.29 1uey s PRO 61 N 0.91 4.56 0.00 -1.68 0.04 -0.77 -3.03 135.00 135.02 1uey s PRO 61 Ca 0.12 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1uey s PRO 61 Cb -0.20 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1uey s PRO 61 CO -0.11 0.00 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1uey n GLY 62 N 2.25 3.16 3.55 0.56 0.00 -1.26 -4.99 105.19 108.46 1uey n GLY 62 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1uey n GLY 62 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uey s LEU 63 N 0.00 3.19 0.21 0.99 0.20 -1.17 -4.98 118.68 117.12 1uey s LEU 63 Ca 0.00 -0.30 -0.18 0.00 0.69 0.00 0.00 54.13 54.34 1uey s LEU 63 Cb 0.00 -2.55 -0.08 0.00 -0.43 0.00 0.00 46.19 43.13 1uey s LEU 63 CO 0.00 -1.95 0.68 0.26 -0.29 0.00 0.00 176.35 175.05 1uey s TRP 64 N 6.44 3.63 0.10 5.38 0.52 -1.26 -3.69 118.94 130.06 1uey s TRP 64 Ca 0.42 1.30 0.04 0.00 0.02 0.00 0.00 56.10 57.89 1uey s TRP 64 Cb -0.09 -2.55 -0.03 0.00 -1.15 0.00 0.00 33.47 29.64 1uey s TRP 64 CO 0.16 0.35 -0.12 -1.01 0.02 0.00 0.00 176.95 176.35 1uey s HIS 65 N -1.52 1.16 0.01 -1.98 3.76 0.37 -4.93 115.29 112.16 1uey s HIS 65 Ca 0.42 -0.58 -0.30 0.00 -0.15 0.00 0.00 55.06 54.45 1uey s HIS 65 Cb -0.16 -0.63 -0.07 0.00 1.11 0.00 0.00 32.58 32.83 1uey s HIS 65 CO 0.20 0.05 1.68 -1.58 -0.85 0.00 0.00 174.74 174.24 1uey s HIS 66 N -2.09 2.11 0.00 1.40 2.46 -1.26 -2.59 115.29 115.32 1uey s HIS 66 Ca 0.04 0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.76 1uey s HIS 66 Cb -0.05 -3.96 0.00 0.00 -0.13 0.00 0.00 32.58 28.44 1uey s HIS 66 CO 0.01 -4.00 0.00 0.94 -2.47 0.00 0.00 174.74 169.22 1uey n GLN 67 N 6.50 0.00 -3.57 2.88 -0.06 -0.37 -4.94 117.38 117.81 1uey n GLN 67 Ca 0.17 0.01 -0.06 0.00 -2.00 0.00 0.00 57.00 55.12 1uey n GLN 67 Cb 0.42 -0.21 -0.02 0.00 -4.06 0.00 0.00 30.24 26.37 1uey n GLN 67 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1uey s THR 68 N -0.35 0.00 0.23 1.69 -1.32 -1.14 -4.98 115.64 109.77 1uey s THR 68 Ca 0.00 -0.15 0.05 0.00 -1.21 0.00 0.00 61.69 60.38 1uey s THR 68 Cb 0.00 -1.26 -0.05 0.00 -1.51 0.00 0.00 72.50 69.68 1uey s THR 68 CO 0.00 0.00 -0.05 -1.83 -2.21 0.00 0.00 174.62 170.53 1uey s GLU 69 N -3.00 1.35 0.22 7.08 4.04 -1.26 0.12 118.70 127.25 1uey s GLU 69 Ca 0.08 -1.66 0.05 0.00 0.04 0.00 0.00 54.97 53.48 1uey s GLU 69 Cb -0.01 -0.82 -0.02 0.00 0.02 0.00 0.00 34.13 33.31 1uey s GLU 69 CO -0.06 -0.00 0.18 1.33 -1.84 0.00 0.00 175.26 174.87 1uey n VAL 70 N -0.42 0.00 -1.37 1.83 0.24 0.31 -4.94 118.33 113.98 1uey n VAL 70 Ca -0.06 -1.60 -0.29 0.00 -2.04 0.00 0.00 64.34 60.35 1uey n VAL 70 Cb 0.63 0.78 0.16 0.00 -1.47 0.00 0.00 33.84 33.93 1uey n VAL 70 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1uey s SER 71 N -2.55 2.98 -0.24 -1.34 0.01 -1.26 -1.33 113.70 109.97 1uey s SER 71 Ca 0.25 1.02 0.01 0.00 1.31 0.00 0.00 55.95 58.53 1uey s SER 71 Cb 0.01 -1.61 0.27 0.00 0.21 0.00 0.00 66.02 64.90 1uey s SER 71 CO 0.18 -2.89 1.63 0.61 0.41 0.00 0.00 173.24 173.18 1uey n GLY 72 N -1.72 3.46 0.86 3.44 0.00 0.58 -3.83 105.19 107.99 1uey n GLY 72 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1uey n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1uey n THR 73 N -0.02 0.00 -2.66 2.61 -1.04 -1.26 -4.51 114.28 107.40 1uey n THR 73 Ca 0.28 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.91 1uey n THR 73 Cb 0.87 -0.52 -0.05 0.00 -1.82 0.00 0.00 70.33 68.81 1uey n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uey s GLN 74 N -1.68 4.51 -0.06 -2.82 -2.07 -1.25 -4.95 119.66 111.33 1uey s GLN 74 Ca 0.00 1.48 0.09 0.00 -1.82 0.00 0.00 55.36 55.11 1uey s GLN 74 Cb 0.00 -2.86 0.15 0.00 -1.09 0.00 0.00 33.01 29.21 1uey s GLN 74 CO 0.00 0.18 1.08 0.25 -1.32 0.00 0.00 175.29 175.48 1uey n THR 75 N 0.61 1.44 -4.08 3.63 -2.24 -1.26 -4.75 114.28 107.63 1uey n THR 75 Ca 0.02 -1.61 -0.19 0.00 -2.27 0.00 0.00 64.05 60.00 1uey n THR 75 Cb 0.49 0.14 -0.16 0.00 -2.10 0.00 0.00 70.33 68.69 1uey n THR 75 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1uey s THR 76 N -1.91 0.39 -0.03 4.28 -4.23 -1.26 -1.89 115.64 110.99 1uey s THR 76 Ca 0.16 -0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 60.61 1uey s THR 76 Cb 0.14 -0.44 0.01 0.00 1.34 0.00 0.00 72.50 73.55 1uey s THR 76 CO 0.02 0.19 0.07 0.00 -0.54 0.00 0.00 174.62 174.35 1uey s ALA 77 N 0.91 -0.14 0.09 3.99 0.00 -1.06 -4.96 121.76 120.59 1uey s ALA 77 Ca -0.11 0.23 -0.31 0.00 0.00 0.00 0.00 51.96 51.78 1uey s ALA 77 Cb -0.14 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.76 1uey s ALA 77 CO -0.00 -0.05 1.40 -0.65 0.00 0.00 0.00 175.76 176.46 1uey s GLN 78 N 0.25 4.31 -0.33 0.00 -0.21 -1.26 -1.04 119.66 121.39 1uey s GLN 78 Ca -0.02 2.06 -0.09 0.00 0.02 0.00 0.00 55.36 57.33 1uey s GLN 78 Cb -0.03 -3.33 0.01 0.00 1.00 0.00 0.00 33.01 30.65 1uey s GLN 78 CO -0.01 -0.48 0.15 -0.51 -2.12 0.00 0.00 175.29 172.32 1uey s LEU 79 N 1.45 4.24 -0.46 2.90 1.43 -1.01 -4.92 118.68 122.31 1uey s LEU 79 Ca 0.65 -0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 52.75 1uey s LEU 79 Cb -0.36 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1uey s LEU 79 CO 0.30 -0.25 1.40 0.20 0.23 0.00 0.00 176.35 178.22 1uey s ASN 80 N 1.57 6.29 0.19 2.29 0.01 -1.26 -3.77 114.94 120.26 1uey s ASN 80 Ca 0.03 0.64 0.06 0.00 -0.71 0.00 0.00 52.86 52.88 1uey s ASN 80 Cb -0.18 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.90 1uey s ASN 80 CO 0.06 -1.51 0.16 -0.76 -1.51 0.00 0.00 177.10 173.53 1uey s LEU 81 N 5.58 3.81 0.19 0.60 1.43 -1.26 -5.11 118.68 123.93 1uey s LEU 81 Ca 0.58 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 1uey s LEU 81 Cb -0.12 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 1uey s LEU 81 CO 0.30 0.04 -0.11 -0.44 0.23 0.00 0.00 176.35 176.37 1uey s SER 82 N -3.32 2.23 0.35 2.29 0.01 -1.26 -5.08 113.70 108.92 1uey s SER 82 Ca 0.31 -1.04 -0.26 0.00 1.31 0.00 0.00 55.95 56.27 1uey s SER 82 Cb -0.09 -0.08 -0.09 0.00 0.21 0.00 0.00 66.02 65.97 1uey s SER 82 CO 0.24 -0.27 1.06 -2.16 0.41 0.00 0.00 173.24 172.52 1uey s PRO 83 N -3.71 4.35 -0.47 12.44 0.04 -1.26 -4.28 135.00 142.11 1uey s PRO 83 Ca 0.21 1.62 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 1uey s PRO 83 Cb 0.01 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1uey s PRO 83 CO 0.05 0.00 0.55 0.66 0.04 0.00 0.00 177.00 178.30 1uey n TYR 84 N 0.43 -2.82 0.00 0.56 4.01 0.91 -4.96 117.16 115.28 1uey n TYR 84 Ca 0.03 1.12 0.00 0.00 -0.16 0.00 0.00 57.90 58.88 1uey n TYR 84 Cb 0.48 -3.73 0.00 0.00 -0.31 0.00 0.00 39.34 35.77 1uey n TYR 84 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1uey n VAL 85 N -0.86 0.00 -4.27 -0.72 3.14 -1.26 -5.09 118.33 109.27 1uey n VAL 85 Ca 0.06 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.09 1uey n VAL 85 Cb 0.44 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.12 1uey n VAL 85 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1uey s ASN 86 N 0.00 5.33 0.17 6.55 2.47 -1.26 -3.95 114.94 124.26 1uey s ASN 86 Ca 0.00 0.12 -0.23 0.00 0.42 0.00 0.00 52.86 53.16 1uey s ASN 86 Cb 0.00 -1.66 0.07 0.00 -1.45 0.00 0.00 41.25 38.21 1uey s ASN 86 CO 0.00 0.31 1.01 -0.72 -3.72 0.00 0.00 177.10 173.98 1uey s TYR 87 N -0.47 0.00 0.49 0.43 1.13 -1.25 -1.57 117.35 116.12 1uey s TYR 87 Ca 0.09 -0.37 0.04 0.00 -1.41 0.00 0.00 57.07 55.42 1uey s TYR 87 Cb -0.12 0.68 0.04 0.00 -1.10 0.00 0.00 41.96 41.46 1uey s TYR 87 CO 0.02 -0.89 0.32 -1.13 -2.51 0.00 0.00 175.55 171.36 1uey n SER 88 N -0.94 2.70 -3.80 -0.18 3.41 -0.95 -3.64 113.62 110.23 1uey n SER 88 Ca -0.04 -2.77 -0.22 0.00 -0.26 0.00 0.00 58.87 55.57 1uey n SER 88 Cb 0.60 0.02 -0.17 0.00 -0.26 0.00 0.00 64.21 64.39 1uey n SER 88 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1uey s PHE 89 N -2.51 0.69 -0.03 7.33 0.08 -1.26 -3.67 117.98 118.61 1uey s PHE 89 Ca 0.24 -0.19 0.07 0.00 0.12 0.00 0.00 56.93 57.18 1uey s PHE 89 Cb -0.02 -0.78 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 1uey s PHE 89 CO 0.15 -0.31 -0.25 -0.98 -0.10 0.00 0.00 175.22 173.73 1uey s ARG 90 N 1.76 2.23 0.03 0.44 1.70 0.10 -3.06 118.95 122.16 1uey s ARG 90 Ca 0.02 -0.92 0.04 0.00 -0.47 0.00 0.00 55.73 54.40 1uey s ARG 90 Cb -0.13 -2.08 -0.03 0.00 -0.57 0.00 0.00 34.95 32.14 1uey s ARG 90 CO -0.04 0.52 -0.08 0.08 -1.08 0.00 0.00 175.30 174.70 1uey s VAL 91 N -0.50 3.57 0.10 4.99 1.01 -1.26 0.00 120.40 128.31 1uey s VAL 91 Ca 0.07 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1uey s VAL 91 Cb -0.11 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1uey s VAL 91 CO 0.00 0.33 -0.13 -0.04 0.00 0.00 0.00 175.10 175.26 1uey s MET 92 N -1.59 0.93 -0.11 2.72 -1.94 0.56 0.07 119.30 119.95 1uey s MET 92 Ca 0.18 -1.14 0.03 0.00 -1.71 0.00 0.00 55.69 53.05 1uey s MET 92 Cb -0.11 -0.82 0.01 0.00 2.01 0.00 0.00 34.83 35.91 1uey s MET 92 CO 0.09 0.16 -0.21 0.00 -0.01 0.00 0.00 175.02 175.05 1uey s ALA 93 N -1.91 2.01 -0.08 3.03 0.00 -1.26 -1.27 121.76 122.28 1uey s ALA 93 Ca 0.05 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.15 1uey s ALA 93 Cb -0.06 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1uey s ALA 93 CO 0.02 0.15 -0.19 0.08 0.00 0.00 0.00 175.76 175.82 1uey s VAL 94 N 0.57 1.68 0.00 0.00 1.01 0.10 -0.91 120.40 122.85 1uey s VAL 94 Ca -0.14 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1uey s VAL 94 Cb -0.17 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1uey s VAL 94 CO 0.05 0.48 0.00 -0.46 0.00 0.00 0.00 175.10 175.16 1uey n ASN 95 N 3.56 0.78 -0.28 3.32 0.23 -0.76 -1.30 115.26 120.80 1uey n ASN 95 Ca -0.20 -0.71 0.10 0.00 -0.53 0.00 0.00 54.58 53.24 1uey n ASN 95 Cb 0.52 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.48 1uey n ASN 95 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1uey h SER 96 N 0.00 0.15 0.00 0.53 0.02 -1.91 -3.10 113.55 109.23 1uey h SER 96 Ca 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1uey h SER 96 Cb 0.00 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1uey h SER 96 CO 0.00 -0.04 0.00 -0.38 -1.14 0.00 0.00 176.83 175.27 1uey n ILE 97 N -5.12 0.00 -1.76 3.27 2.08 -1.26 -5.05 119.36 111.53 1uey n ILE 97 Ca 0.19 0.70 0.00 0.00 0.56 0.00 0.00 62.75 64.20 1uey n ILE 97 Cb 0.58 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.80 1uey n ILE 97 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uey n GLY 98 N -0.21 2.77 3.69 7.39 0.00 -1.17 -5.02 105.19 112.64 1uey n GLY 98 Ca 0.00 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1uey n GLY 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uey s LYS 99 N 1.41 4.15 1.03 1.61 2.20 -1.26 -1.82 119.74 127.05 1uey s LYS 99 Ca 0.00 -0.13 -0.17 0.00 -0.36 0.00 0.00 55.97 55.31 1uey s LYS 99 Cb 0.00 -3.48 0.23 0.00 -1.51 0.00 0.00 37.83 33.07 1uey s LYS 99 CO 0.00 0.15 1.30 -1.54 -0.36 0.00 0.00 175.35 174.90 1uey s SER 100 N 0.75 2.53 0.86 1.43 1.04 -0.09 -5.00 113.70 115.23 1uey s SER 100 Ca 0.11 0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.69 1uey s SER 100 Cb -0.13 -0.29 0.11 0.00 0.10 0.00 0.00 66.02 65.82 1uey s SER 100 CO 0.03 -3.10 1.10 -0.76 0.98 0.00 0.00 173.24 171.49 1uey s LEU 101 N -6.13 2.62 0.41 2.42 1.43 -1.26 -4.63 118.68 113.53 1uey s LEU 101 Ca 0.75 1.77 -0.24 0.00 -1.03 0.00 0.00 54.13 55.38 1uey s LEU 101 Cb -0.04 -4.27 -0.09 0.00 0.03 0.00 0.00 46.19 41.83 1uey s LEU 101 CO 0.54 -2.56 1.05 -2.16 0.23 0.00 0.00 176.35 173.45 1uey s PRO 102 N -4.84 4.13 0.74 1.29 0.04 -1.26 -4.60 135.00 130.50 1uey s PRO 102 Ca 0.63 1.51 -0.15 0.00 0.04 0.00 0.00 61.00 63.03 1uey s PRO 102 Cb -0.19 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.85 1uey s PRO 102 CO 0.57 -0.17 0.93 -1.13 0.04 0.00 0.00 177.00 177.25 1uey n SER 103 N -0.13 0.28 0.00 6.66 3.41 0.11 -4.91 113.62 119.04 1uey n SER 103 Ca 0.05 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 1uey n SER 103 Cb 0.50 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1uey n SER 103 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1uey n GLU 104 N -1.94 0.00 0.00 4.33 -0.58 -1.26 -4.63 120.64 116.56 1uey n GLU 104 Ca 0.13 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 57.09 1uey n GLU 104 Cb 0.50 -0.65 0.00 0.00 -0.57 0.00 0.00 31.44 30.72 1uey n GLU 104 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uey n ALA 105 N -1.68 0.00 -0.51 0.62 0.00 -1.26 -4.97 120.51 112.71 1uey n ALA 105 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1uey n ALA 105 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 1uey n ALA 105 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uey n SER 106 N 0.00 -3.39 -4.48 0.00 7.64 -1.17 -4.96 113.62 107.26 1uey n SER 106 Ca 0.00 -0.56 -0.28 0.00 1.01 0.00 0.00 58.87 59.04 1uey n SER 106 Cb 0.00 -0.64 0.25 0.00 -1.01 0.00 0.00 64.21 62.82 1uey n SER 106 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1uey s GLU 107 N -4.29 -1.00 -0.68 1.43 -1.05 -1.26 -4.70 118.70 107.15 1uey s GLU 107 Ca 0.42 0.75 -0.19 0.00 -0.15 0.00 0.00 54.97 55.80 1uey s GLU 107 Cb -0.07 -1.55 0.11 0.00 -0.44 0.00 0.00 34.13 32.17 1uey s GLU 107 CO 0.36 -3.76 0.85 -0.65 0.95 0.00 0.00 175.26 173.01 1uey s GLN 108 N -4.51 3.19 -0.51 -4.83 -0.21 -1.26 -4.59 119.66 106.95 1uey s GLN 108 Ca 0.68 -1.35 -0.27 0.00 0.02 0.00 0.00 55.36 54.44 1uey s GLN 108 Cb -0.24 -4.38 0.03 0.00 1.00 0.00 0.00 33.01 29.42 1uey s GLN 108 CO 0.64 -1.64 1.08 -0.47 -2.12 0.00 0.00 175.29 172.79 1uey s TYR 109 N 2.87 2.78 -0.46 0.91 6.14 -1.24 -4.99 117.35 123.37 1uey s TYR 109 Ca 0.18 0.49 -0.14 0.00 0.64 0.00 0.00 57.07 58.24 1uey s TYR 109 Cb -0.18 -4.32 0.08 0.00 0.42 0.00 0.00 41.96 37.96 1uey s TYR 109 CO 0.03 -1.32 0.37 -1.17 0.64 0.00 0.00 175.55 174.10 1uey s LEU 110 N 4.38 5.55 0.00 6.97 0.20 -1.26 -4.14 118.68 130.38 1uey s LEU 110 Ca 0.42 -1.38 -0.16 0.00 0.69 0.00 0.00 54.13 53.71 1uey s LEU 110 Cb -0.08 -2.15 0.25 0.00 -0.43 0.00 0.00 46.19 43.78 1uey s LEU 110 CO 0.28 -0.63 0.56 0.35 -0.29 0.00 0.00 176.35 176.61 1uey n THR 111 N 5.15 0.00 -0.96 3.68 -2.24 -1.25 -4.91 114.28 113.74 1uey n THR 111 Ca -0.12 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 1uey n THR 111 Cb 0.43 -0.63 0.13 0.00 -2.10 0.00 0.00 70.33 68.16 1uey n THR 111 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1uey n LYS 112 N -3.86 -0.04 0.00 -0.78 4.76 -1.26 -4.61 118.16 112.37 1uey n LYS 112 Ca 0.09 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1uey n LYS 112 Cb 0.39 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 1uey n LYS 112 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uey n ALA 113 N -3.50 0.00 -0.96 7.82 0.00 -1.26 -0.06 120.51 122.55 1uey n ALA 113 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.40 1uey n ALA 113 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 1uey n ALA 113 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uey n SER 114 N 0.00 6.20 0.00 0.00 7.64 -1.26 -4.76 113.62 121.44 1uey n SER 114 Ca 0.00 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1uey n SER 114 Cb 0.00 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 1uey n SER 114 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1uey n GLU 115 N 0.81 0.00 0.00 1.43 4.07 -1.26 -5.13 120.64 120.56 1uey n GLU 115 Ca 0.30 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 1uey n GLU 115 Cb 0.59 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.97 1uey n GLU 115 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1uey n PRO 116 N -0.22 0.00 -0.20 5.31 -0.04 -1.26 -4.95 135.00 133.64 1uey n PRO 116 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1uey n PRO 116 Cb 0.00 -0.11 0.07 0.00 -0.04 0.00 0.00 33.50 33.42 1uey n PRO 116 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1uey n ASP 117 N 0.00 -1.71 -1.38 3.54 -0.08 -1.26 -4.88 116.55 110.78 1uey n ASP 117 Ca 0.00 -0.52 0.00 0.00 -1.51 0.00 0.00 54.79 52.76 1uey n ASP 117 Cb 0.00 -0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.20 1uey n ASP 117 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1uey n LYS 118 N -2.57 -3.30 -3.83 -0.67 4.76 -1.26 -4.93 118.16 106.36 1uey n LYS 118 Ca 0.04 2.51 -0.30 0.00 -2.87 0.00 0.00 58.31 57.69 1uey n LYS 118 Cb 0.15 -2.53 -0.11 0.00 -1.84 0.00 0.00 35.03 30.71 1uey n LYS 118 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1uey s ASN 119 N -0.51 5.13 0.55 4.39 3.84 -1.26 -5.05 114.94 122.02 1uey s ASN 119 Ca 0.00 -3.82 -0.18 0.00 0.21 0.00 0.00 52.86 49.08 1uey s ASN 119 Cb 0.00 -1.71 -0.06 0.00 -0.55 0.00 0.00 41.25 38.93 1uey s ASN 119 CO 0.00 -0.11 1.04 -2.16 -2.79 0.00 0.00 177.10 173.08 1uey s PRO 120 N -1.43 3.55 -0.29 0.43 0.04 -1.26 -5.06 135.00 130.99 1uey s PRO 120 Ca 0.25 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 1uey s PRO 120 Cb -0.05 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.57 1uey s PRO 120 CO -0.15 -0.62 0.95 -0.08 0.04 0.00 0.00 177.00 177.14 1uey s THR 121 N -2.28 -0.13 -0.53 1.26 -1.32 -1.26 -4.97 115.64 106.41 1uey s THR 121 Ca 0.65 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.88 1uey s THR 121 Cb -0.16 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.87 1uey s THR 121 CO 0.30 0.00 0.96 -0.94 -2.21 0.00 0.00 174.62 172.73 1uey s SER 122 N 1.63 6.40 0.00 8.08 1.04 -1.26 -4.94 113.70 124.65 1uey s SER 122 Ca -0.08 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1uey s SER 122 Cb -0.04 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1uey s SER 122 CO -0.16 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.47 1uey n GLY 123 N 5.06 3.82 3.80 7.32 0.00 -1.26 -4.85 105.19 119.07 1uey n GLY 123 Ca 0.04 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 1uey n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uey s PRO 124 N 1.02 1.90 -0.16 1.61 0.04 -1.26 -5.07 135.00 133.08 1uey s PRO 124 Ca 0.00 0.57 -0.05 0.00 0.04 0.00 0.00 61.00 61.57 1uey s PRO 124 Cb 0.00 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.69 1uey s PRO 124 CO 0.00 -1.74 0.09 -1.12 0.04 0.00 0.00 177.00 174.27 1uey s SER 125 N -3.93 2.25 0.35 6.66 0.01 -1.26 -5.12 113.70 112.66 1uey s SER 125 Ca 0.61 -0.55 -0.22 0.00 1.31 0.00 0.00 55.95 57.10 1uey s SER 125 Cb -0.14 -0.24 -0.15 0.00 0.21 0.00 0.00 66.02 65.69 1uey s SER 125 CO 0.54 -0.34 0.17 -0.24 0.41 0.00 0.00 173.24 173.78 1uey n SER 126 N 5.28 -2.49 0.00 2.44 2.88 -1.26 -5.36 113.62 115.11 1uey n SER 126 Ca -0.07 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 1uey n SER 126 Cb 0.49 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1uey n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42